![4-[(Dimethylamino)methylidene]-2,3,4,5-tetrahydro-1-benzothiepin-5-one structure](/static/products/1063/106364-97-0.webp)
4-[(Dimethylamino)methylidene]-2,3,4,5-tetrahydro-1-benzothiepin-5-one
TL;DR: 4-[(Dimethylamino)methylidene]-2,3,4,5-tetrahydro-1-benzothiepin-5-one (CAS 106364-97-0) is a chemical compound with molecular formula C13H15NOS and molecular weight 233.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(dimethylaminomethylidene)-2,3-dihydro-1-benzothiepin-5-one
Also Known As: 4-(dimethylaminomethylidene)-2,3-dihydro-1-benzothiepin-5-one, 4-[(dimethylamino)methylidene]-2,3,4,5-tetrahydro-1-benzothiepin-5-one, 4-[(E)-(dimethylamino)methylidene]-3,4-dihydro-1-benzothiepin-5(2H)-one
| Molecular Formula | C13H15NOS |
|---|---|
| Molecular Weight | 233.09 g/mol |
| LogP | 2.8106 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 233.08743 |
| Heavy Atoms | 16 |
| Complexity | 437.31366 |
Chemical Identifiers
| CAS Number | 106364-97-0 |
|---|---|
| SMILES | CN(C)C=C1CCSC2=CC=CC=C2C1=O |
Product Overview
4-[(Dimethylamino)methylidene]-2,3,4,5-tetrahydro-1-benzothiepin-5-one (CAS 106364-97-0), with molecular formula C13H15NOS and molecular weight 233.09 g/mol. IUPAC: 4-(dimethylaminomethylidene)-2,3-dihydro-1-benzothiepin-5-one.
Chemical Property Profile of 4-[(Dimethylamino)methylidene]-2,3,4,5-tetrahydro-1-benzothiepin-5-one
Property Insights of 4-[(Dimethylamino)methylidene]-2,3,4,5-tetrahydro-1-benzothiepin-5-one
The XLogP value of 2.8106 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(Dimethylamino)methylidene]-2,3,4,5-tetrahydro-1-benzothiepin-5-one. With a topological polar surface area (TPSA) of 20.31 Ų, 4-[(Dimethylamino)methylidene]-2,3,4,5-tetrahydro-1-benzothiepin-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(Dimethylamino)methylidene]-2,3,4,5-tetrahydro-1-benzothiepin-5-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-[(Dimethylamino)methylidene]-2,3,4,5-tetrahydro-1-benzothiepin-5-one?
The CAS number of 4-[(Dimethylamino)methylidene]-2,3,4,5-tetrahydro-1-benzothiepin-5-one is 106364-97-0.
What is the molecular formula of 4-[(Dimethylamino)methylidene]-2,3,4,5-tetrahydro-1-benzothiepin-5-one?
The molecular formula of 4-[(Dimethylamino)methylidene]-2,3,4,5-tetrahydro-1-benzothiepin-5-one is C13H15NOS.
What is the molecular weight of 4-[(Dimethylamino)methylidene]-2,3,4,5-tetrahydro-1-benzothiepin-5-one?
The molecular weight of 4-[(Dimethylamino)methylidene]-2,3,4,5-tetrahydro-1-benzothiepin-5-one is 233.09 g/mol.
Where can I buy 4-[(Dimethylamino)methylidene]-2,3,4,5-tetrahydro-1-benzothiepin-5-one?
You can request a quote for 4-[(Dimethylamino)methylidene]-2,3,4,5-tetrahydro-1-benzothiepin-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(Dimethylamino)methylidene]-2,3,4,5-tetrahydro-1-benzothiepin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 4-[(Dimethylamino)methylidene]-2,3,4,5-tetrahydro-1-benzothiepin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.